1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one

C138H144Cl5F14N17O10S2 — CID 161409290

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OC[C@@H](C)O3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OC[C@@H](C)O3)nc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C30H28ClF4N3O2.C29H29ClF5N3OS.C28H28ClF5N4OS.C26H30ClN3O3.C25H29ClN4O3/c1-2-25-29(38-18-22(31)7-12-28(38)36-25)27(39)11-4-19-3-10-26(24(32)17-19)37-15-13-21(14-16-37)20-5-8-23(9-6-20)40-30(33,34)35;1-2-26-29(38-19-23(30)8-14-28(38)36-26)27(39)13-5-20-3-9-24(10-4-20)37-17-15-22(16-18-37)21-6-11-25(12-7-21)40(31,32,33,34)35;1-2-25-28(38-19-21(29)6-14-27(38)35-25)26(39)13-5-20-3-7-22(8-4-20)36-15-17-37(18-16-36)23-9-11-24(12-10-23)40(30,31,32,33)34;1-3-22-25(30-16-20(27)7-11-24(30)28-22)23(31)10-6-19-4-8-21(9-5-19)29-14-12-26(13-15-29)32-17-18(2)33-26;1-3-20-24(30-15-19(26)6-9-23(30)28-20)21(31)7-4-18-5-8-22(27-14-18)29-12-10-25(11-13-29)32-16-17(2)33-25/h3,5-10,12,17-18,21H,2,4,11,13-16H2,1H3;3-4,6-12,14,19,22H,2,5,13,15-18H2,1H3;3-4,6-12,14,19H,2,5,13,15-18H2,1H3;4-5,7-9,11,16,18H,3,6,10,12-15,17H2,1-2H3;5-6,8-9,14-15,17H,3-4,7,10-13,16H2,1-2H3/t;;;18-;17-/m...11/s1
InChIKeyVVGHOPOXOXVMOX-JDSDVXKMSA-N
MW2708.15 g/mol
LogP35.13
Rot. Bonds36

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one (PubChem CID 161409290) has the molecular formula C138H144Cl5F14N17O10S2 and a molecular weight of 2708.15 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one
PubChem CID161409290
Molecular FormulaC138H144Cl5F14N17O10S2
Molecular Weight2708.15 g/mol
Exact Mass2703.89
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OC[C@@H](C)O3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OC[C@@H](C)O3)nc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C30H28ClF4N3O2.C29H29ClF5N3OS.C28H28ClF5N4OS.C26H30ClN3O3.C25H29ClN4O3/c1-2-25-29(38-18-22(31)7-12-28(38)36-25)27(39)11-4-19-3-10-26(24(32)17-19)37-15-13-21(14-16-37)20-5-8-23(9-6-20)40-30(33,34)35;1-2-26-29(38-19-23(30)8-14-28(38)36-26)27(39)13-5-20-3-9-24(10-4-20)37-17-15-22(16-18-37)21-6-11-25(12-7-21)40(31,32,33,34)35;1-2-25-28(38-19-21(29)6-14-27(38)35-25)26(39)13-5-20-3-7-22(8-4-20)36-15-17-37(18-16-36)23-9-11-24(12-10-23)40(30,31,32,33)34;1-3-22-25(30-16-20(27)7-11-24(30)28-22)23(31)10-6-19-4-8-21(9-5-19)29-14-12-26(13-15-29)32-17-18(2)33-26;1-3-20-24(30-15-19(26)6-9-23(30)28-20)21(31)7-4-18-5-8-22(27-14-18)29-12-10-25(11-13-29)32-16-17(2)33-25/h3,5-10,12,17-18,21H,2,4,11,13-16H2,1H3;3-4,6-12,14,19,22H,2,5,13,15-18H2,1H3;3-4,6-12,14,19H,2,5,13,15-18H2,1H3;4-5,7-9,11,16,18H,3,6,10,12-15,17H2,1-2H3;5-6,8-9,14-15,17H,3-4,7,10-13,16H2,1-2H3/t;;;18-;17-/m...11/s1
InChIKeyVVGHOPOXOXVMOX-JDSDVXKMSA-N
XLogP35.13
TPSA250.33 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002708.15
LogP ≤ 535.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(6-Chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)propan-1-one;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one
CID 158426885
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;1-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-(2-hydroxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 160541241
1-(6-Chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one
CID 167580113
1-(6-Chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(4-methylphenyl)piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one
CID 167597045
1-(6-Chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one
CID 167698594

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one (CID 161409290) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OC[C@@H](C)O3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC3(CC2)OC[C@@H](C)O3)nc1.CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one?
The InChIKey is VVGHOPOXOXVMOX-JDSDVXKMSA-N. The full InChI is InChI=1S/C30H28ClF4N3O2.C29H29ClF5N3OS.C28H28ClF5N4OS.C26H30ClN3O3.C25H29ClN4O3/c1-2-25-29(38-18-22(31)7-12-28(38)36-25)27(39)11-4-19-3-10-26(24(32)17-19)37-15-13-21(14-16-37)20-5-8-23(9-6-20)40-30(33,34)35;1-2-26-29(38-19-23(30)8-14-28(38)36-26)27(39)13-5-20-3-9-24(10-4-20)37-17-15-22(16-18-37)21-6-11-25(12-7-21)40(31,32,33,34)35;1-2-25-28(38-19-21(29)6-14-27(38)35-25)26(39)13-5-20-3-7-22(8-4-20)36-15-17-37(18-16-36)23-9-11-24(12-10-23)40(30,31,32,33)34;1-3-22-25(30-16-20(27)7-11-24(30)28-22)23(31)10-6-19-4-8-21(9-5-19)29-14-12-26(13-15-29)32-17-18(2)33-26;1-3-20-24(30-15-19(26)6-9-23(30)28-20)21(31)7-4-18-5-8-22(27-14-18)29-12-10-25(11-13-29)32-16-17(2)33-25/h3,5-10,12,17-18,21H,2,4,11,13-16H2,1H3;3-4,6-12,14,19,22H,2,5,13,15-18H2,1H3;3-4,6-12,14,19H,2,5,13,15-18H2,1H3;4-5,7-9,11,16,18H,3,6,10,12-15,17H2,1-2H3;5-6,8-9,14-15,17H,3-4,7,10-13,16H2,1-2H3/t;;;18-;17-/m...11/s1.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one?
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one has a molecular weight of 2708.15 g/mol, XLogP of 35.13, 36 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[6-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-3-pyridinyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperazin-1-yl]phenyl]propan-1-one;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 161409290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).